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A new deep-learning model developed by scientists at the IPD and MIT is redefining what’s possible in enzyme design.

ProteinMPNN revolutionized protein sequence design. LigandMPNN opens the door to programming protein–ligand interfaces of all kinds.

New AI-generated proteins that protect animals in the lab promise safer, more accessible antivenoms.

New protein assemblies with hundreds of subunits dwarf common viral capsids.

Generative AI based on RFdiffusion designs cyclic peptides with atomic accuracy.

“When we started with this idea a few years ago, many people thought it was impossible.”

This advance could allow scientists to create cheaper alternatives to antibodies for disease detection and treatment. This week we report in Nature an AI-enabled advance in biotechnology with implications for drug development, disease detection, and environmental monitoring. Using a combination of traditional and deep learning based molecular design approaches, we’ve created proteins that bind with…

Our research shows that custom proteins can drive the growth of limestone-like minerals, a breakthrough that may one day help remove excess carbon from the environment.

Recent deep-learning breakthroughs allow us to look beyond just amino acids, expanding the types of proteins that can be modeled and designed using RoseTTAFold and RFdiffusion.

Today we report in Nature the design of proteins that recognize and bind to the so-called “intrinsically disordered regions” of proteins and peptides. The body produces such disordered molecules naturally, but many have been linked to health disorders, including myeloma and other cancers. “Disordered proteins play important roles in biology. By designing new proteins that…

The de novo design of small proteins with beta-barrel topologies has been a challenge for computational design due to the complexity inherent in these folds. In a new study appearing in PNAS, a team led by Baker Lab research scientist David E. Kim describes the successful design and characterization of four different classes of small…

King Lab postdoctoral scholars John Wang and Alena Khmelinskaia have developed a new tool for identifying and removing hidden transmembrane sequences that hinder protein secretion.

Under ideal conditions, cryo-electron microscopy can be used to determine protein structures at near-atomic resolution. But conditions are not always perfect. To help researchers make use of medium-resolution cryo-electron density maps, scientists in the DiMaio Lab have developed EMERALD, which is a new software tool that can accurately and automatically produce deposition-ready small molecule models…

Today we report in Nature the computational design of highly efficient enzymes unlike any found in nature. Laboratory testing confirms that the new light-emitting enzymes can recognize specific chemical substrates and catalyze the emission of photons very efficiently.

Update (July 2023): Our manuscript on the development of RFdiffusion has been published in Nature. A team led by scientists from the Baker Lab has created a powerful new way of designing proteins that combines structure prediction networks and generative diffusion models. The team demonstrated extremely high computational success using the new method and experimentally…

Researchers at the Institute for Protein Design have discovered how to create peptides that slip through membranes and enter cells. This drug design breakthrough may lead to new medications for a wide variety of health disorders, including cancer, infection, and inflammation. This research appears in the journal Cell [PDF]. “This new ability to design membrane-permeable…

Today we report in Science [PDF] the development of artificial intelligence software that can create proteins that may be useful as vaccines, cancer treatments, or even tools for pulling carbon pollution out of the air. This project was led by Jue Wang, Doug Tischer, and Joseph L. Watson, who are postdoctoral scholars at UW Medicine,…

Today we report in Science the design of rotary devices made from custom proteins. These microscopic “axles” and “rotors” come together to form spinning assemblies, rather than being locked in just one orientation. Such mechanical coupling is a key feature of any machine. The new axle-rotor devices — which are each about a billion times…

Today we report in Nature a new method for generating protein drugs. Using Rosetta-based design, an international team designed molecules that can target important proteins in the body, such as the insulin receptor, as well as proteins on the surface of viruses. This solves a long-standing challenge in drug development and may lead to new treatments for…

A new approach for creating custom protein complexes yields asymmetric assemblies with interchangeable parts. Today we report in Science the design of new protein assemblies made from modular parts. These complexes — which adopt linear, branching, or closed-loop architectures — contain up to six unique proteins, each of which remains folded and soluble in the absence…

Just as convincing images of cats can be created using artificial intelligence, new proteins can now be made using similar tools. In a new report in Nature, we describe the development of a neural network that “hallucinates” proteins with new, stable structures. “For this project, we made up completely random protein sequences and introduced mutations…

A team led by scientsts in the Baker lab has combined recent advances in evolutionary analysis and deep learning to build three-dimensional models of how most proteins in eukaryotes interact. This breakthrough has significant implications for understanding the biochemical processes that are common to all animals, plants, and fungi. This open-access work appears in Science.…

Today we report the development and initial applications of RoseTTAFold, a software tool that uses deep learning to quickly and accurately predict protein structures based on limited information. Without the aid of such software, it can take years of laboratory work to determine the structure of just one protein. With RoseTTAFold, a protein structure can be…

IPD researchers together with collaborators at the National Institutes of Health have developed experimental flu shots that protect animals from a wide variety of seasonal and pandemic influenza strains. The lead vaccine candidate has entered human clinical testing at the NIH. If it proves safe and effective, these next-generation influenza vaccines may replace current seasonal…

Scientists at the IPD and Ovchinnikov lab at Harvard have applied deep learning to the challenge of protein design, yielding a new way to quickly create protein sequences that fold up as desired. This breakthrough has broad implications for the development of protein-based medicines and vaccines. Computational protein design has primarily focused on finding amino…

Biochemists have created barrel-shaped proteins that embed into lipid membranes, expanding the bioengineering toolkit. In a milestone for biomolecular design, a team of scientists has succeeded in creating new proteins that adopt one of the most complex folds known to molecular biology. These designer proteins were shown in the lab to spontaneously fold into their…

Today we report the design of a new class of protein material that interacts with living cells without being absorbed by them. These large, flat arrays built from multiple protein parts can influence cell signaling by clustering and anchoring cell surface receptors. This breakthrough could have far-reaching implications for stem cell research and enable the…

In a new paper [PDF] appearing in Science, a team of IPD researchers together with colleagues at UW Medicine and Fred Hutchinson Cancer Research Center demonstrate a new way to precisely target cells — including those that look almost exactly like their neighbors. They designed nanoscale devices made of synthetic proteins that target a therapeutic agent only to cells with…